Structure of PDB 8qeo Chain A Binding Site BS01

Receptor Information

>8qeo Chain A (length=2146) Species: 1496 (Clostridioides difficile)

SLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKD
INSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFV
WIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAIN
DTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELI
IDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGES
FNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESI
EKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLA
SKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVK
QIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELG
KYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNF
EISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSLGEDDNLDF
SQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFAKT
PYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLTFI
GHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNMF
SYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEGR
RELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNLPELSTLL
QEIRNNSNSSDIELEEKVMLTECEINVISNIDTQIVEERSDSINYIKDEF
KLIESISDALCDLKQQNELEDSHFISFEDISETDEGFSIRFINKETGESI
FVETEKTIFSEYANHITEEISKIKGTIFTHEVNTLNAAFFIQSESLSNLS
VAMKVQVYAQLFSTGLNTITDAAKVVELVSTALDETIDLLPTLSEGLPII
ATIIDGLLRQEIEAKIGIMAVNLTTATTAIITSSLGIASGFSILLVPLAG
ISAGIPSLVNNELVLRDKATKVVDYFKHVSLVETEGVFTLLDDKIMMPQD
DLVISEIDFNNNSIVLGKCEIWRMEGGSGHTVTDDIDHFFSAPSITYREP
HLSIYDVLEVQKEELDLSKDLMVLPNAPNRVFAWETGWTPGLRSLENDGT
KLLDRIRDNYEGEFYWRYFAFIADALITTLKPRYEDTNIRINLDSNTRSF
IVPIITTEYIREKLSYSFYGSGGTYALSLSQYNMGINIELSESDVWIIDV
DNVVRDVTIESDKIKKGDLIEGILSTLSIEENKIILNSHEINFSGEVNGS
NGFVSLTFSILEGINAIIEVDLLSKSYKLLISGELKILMLNSNHIQQKID
YIGFNSELQKNIPYSFVDSEGKENGFINGSTKEGLFVSELPDVVLISKVY
MDDSKPSFGYYSNNLKDVKVITKDNVNILTGYYLKDDIKISLSLTLQDEK
TIKLNSVHLDESGVAEILKFMNRKGNTNTSDSLMSFLESMNIKSIFVNFL
QSNIKFILDANFIISGTTSIGQFEFICDENDNIQPYFIKFNTLETNYTLY
VGNRQNMIVEPNYDLDDSGDISSTVINFSQKYLYGIDSCVNKVVISPNIY
TDEINITPVYETNNTYPEVIVLDANYINEKINVNINDLSIRYVWSNDGND
FILMSTSEENKVSQVKIRFVNVFKDKTLANKLSFNFSDKQDVPVSEIILS
FTPSYYEDGLIGYDLGLVSLYNEKFYINNFGMMVSGLIYINDSLYYFKPP
VNNLITGFVTVGDDKYYFNPINGGAASIGETIIDDKNYYFNQSGVLQTGV
FSTEDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVEW
KELDGEMHYFSPETGKAFKGLNQIGDYKYYFNSDGVMQKGFVSINDNKHY
FDDSGVMKVGYTEIDGKHFYFAENGEMQIGVFNTEDGFKYFAHHNEDLGN
EEGEEISYSGILNFNNKIYYFDDSFTAVVGWKDLEDGSKYYFDEDTAEAY
IGLSLINDGQYYFNDDGIMQVGFVTINDKVFYFSDSGIIESGVQNIDDNY
FYIDDNGIVQIGVFDTSDGYKYFAPANTVNDNIYGQAVEYSGLVRV

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 8qeo Chain A Residue 2800

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qeo Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
• Resolution: 3.26 Å
• Binding residue (original residue number in PDB): D546 H653 C698
• Binding residue (residue number reindexed from 1): D545 H652 C697
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-
  3.4.22.-

Gene Ontology

Molecular Function

• GO:0008234 cysteine-type peptidase activity
• GO:0008289 lipid binding
• GO:0016757 glycosyltransferase activity
• GO:0046527 glucosyltransferase activity
• GO:0046872 metal ion binding
• GO:0090729 toxin activity

Biological Process

• GO:0006508 proteolysis
• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region
• GO:0016020 membrane
• GO:0020002 host cell plasma membrane
• GO:0030430 host cell cytoplasm
• GO:0044164 host cell cytosol
• GO:0044174 host cell endosome
• GO:0044175 host cell endosome membrane

External links

• PDB: RCSB:8qeo, PDBe:8qeo, PDBj:8qeo
• PDBsum: 8qeo
• PubMed: 38308843
• UniProt: P18177|TCDB_CLODI Toxin B (Gene Name=tcdB)